1,1,1-Trichloro-3,4-epoxybutane
TL;DR: 1,1,1-Trichloro-3,4-epoxybutane (CAS 3083-25-8) is a chemical compound with molecular formula C4H5Cl3O and molecular weight 173.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2,2-trichloroethyl)oxirane
Also Known As: Trichlorobutylene oxide, 2-(2,2,2-Trichloroethyl)oxirane, 1,2-Epoxy-4,4,4-trichlorobutane, (2,2,2-Trichloroethyl)oxirane, 4,4,4-Trichloro-1,2-epoxybutane
| Molecular Formula | C4H5Cl3O |
|---|---|
| Molecular Weight | 173.94 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.9406 |
| Heavy Atoms | 8 |
| Complexity | 87.0 |
| Solubility | 0.1 to 1 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 3083-25-8 |
|---|---|
| SMILES | C1C(O1)CC(Cl)(Cl)Cl |
| InChIKey | CYYDNXCYDWWSPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trichloro-3,4-epoxybutane (CAS 3083-25-8), with molecular formula C4H5Cl3O and molecular weight 173.94 g/mol. IUPAC: 2-(2,2,2-trichloroethyl)oxirane.
Chemical Property Profile of 1,1,1-Trichloro-3,4-epoxybutane
Property Insights of 1,1,1-Trichloro-3,4-epoxybutane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trichloro-3,4-epoxybutane. With a topological polar surface area (TPSA) of 12.5 Ų, 1,1,1-Trichloro-3,4-epoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichloro-3,4-epoxybutane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1-Trichloro-3,4-epoxybutane?
The CAS number of 1,1,1-Trichloro-3,4-epoxybutane is 3083-25-8.
What is the molecular formula of 1,1,1-Trichloro-3,4-epoxybutane?
The molecular formula of 1,1,1-Trichloro-3,4-epoxybutane is C4H5Cl3O.
What is the molecular weight of 1,1,1-Trichloro-3,4-epoxybutane?
The molecular weight of 1,1,1-Trichloro-3,4-epoxybutane is 173.94 g/mol.
Where can I buy 1,1,1-Trichloro-3,4-epoxybutane?
You can request a quote for 1,1,1-Trichloro-3,4-epoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trichloro-3,4-epoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichloro-3,4-epoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.